SCHEMBL3689436

SCHEMBL3689436

Cc1ccc(C)c(-c2ccc(-c3ccc(-c4ccc(-c5cc(C)ccc5C)cc4)cc3)cc2)c1.Cc1cccc(-c2ccc(-c3ccc(-c4cccc(C)c4)cc3C)c(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
MAPT P10636 1/20 0.43
S1PR4 O95977 2/20 0.41
ENPP3 O14638 2/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PDK2 Q15119 1/20 0.39
FYN P06241 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ESR2 Q92731 1/20 0.37
ACHE P22303 1/20 0.37
ESRRA P11474 1/20 0.36
FNTA P49354 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1532883 0.88 ELANE (0.44) MAPTS1PR4PDK2CA12CA1
SCHEMBL141537 0.87 PGR (0.49) PGRMAPTENPP3PARP10PARP11
SCHEMBL31026066 0.87 PGR (0.49) PGRMAPTENPP3PARP10PARP11
SCHEMBL17183131 0.84 ELANE (0.44) MAPTS1PR4ENPP3PDK2CA12
SCHEMBL7776584 0.84 ESR2 (0.53) PGRMAPTENPP3PARP10PARP11
SCHEMBL278217 0.83 S1PR4 (0.53) MAPTS1PR4FYNCLK4DYRK1B
SCHEMBL10341375 0.82 ESR2 (0.55) PGRMAPTENPP3PARP10PARP11
SCHEMBL139182 0.81 ESRRA (0.46) S1PR4ESRRA
SCHEMBL30445989 0.81 ESRRA (0.46) S1PR4ESRRA
SCHEMBL6300449 0.79 ESR2 (0.44) PGRMAPTENPP3PARP10PARP11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 WO disclosed